SCHEMBL4451481

SCHEMBL4451481

O=C(Cc1ccccc1)N[C@@H](CC1CCCCC1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.77
CTSV O60911 5/20 0.77
CTSL P07711 5/20 0.77
CTSK P43235 5/20 0.57
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
CCR1 P32246 1/20 0.42
CNR2 P34972 2/20 0.41
LTA4H P09960 1/20 0.39
CTSB P07858 1/20 0.39
F2RL1 P55085 1/20 0.39
EPHX2 P34913 1/20 0.39
HTRA1 Q92743 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6808702 1.00 CTSS (0.77) CTSSCTSVCTSLCTSKPSEN1
SCHEMBL13677209 1.00 CTSS (0.77) CTSSCTSVCTSLCTSKPSEN1
SCHEMBL6803217 0.99 CTSS (0.75) CTSSCTSVCTSLCTSKPSEN1
SCHEMBL6804029 0.95 CTSS (0.70) CTSSCTSVCTSLCTSKPSEN1
SCHEMBL6798026 0.94 CTSS (0.68) CTSSCTSVCTSLCTSKPSEN1
SCHEMBL13677231 0.91 CTSS (0.74) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6802337 0.91 CTSS (0.74) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4450125 0.91 CTSS (0.74) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6802787 0.90 CTSS (0.73) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6796912 0.88 CTSS (0.60) CTSSCTSVCTSLCTSKCCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSS 39/4885CTSV 27/4885CTSL 23/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSS 21/4885CTSV 18/4885CTSL 16/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.